RDF/XML JSON-LD N3/Turtle RDF/JSON

Oliva Enrich, José María Autor

On the electronic structure of a dianion, a radical anion, and a neutral biradical (HB)<sub>11</sub>C{single bond}C{triple bond, long}C{single bond}C(BH)<sub>11</sub> carborane dimer

  • Oliva J.
  • Serrano-Andrés L.
  • Havlas Z.
  • Michl J.

Journal of Molecular Structure: THEOCHEM - 30/10/2009

10.1016/j.theochem.2009.01.033

Número de citas: 19 (Scopus)
  • Factor Impacto JCR: 1,216 (2009)
  • Impacto JCR a 5 años: 1,212
  • Categorías JCR: CHEMISTRY, PHYSICAL

Solid phases of phosphorus carbide: An ab initio study

  • Claeyssens F.
  • Hart J.
  • Allan N.
  • Oliva J.

Physical Review B - Condensed Matter and Materials Physics - 23/04/2009

10.1103/physrevb.79.134115

Número de citas: 31 (Scopus)
  • Factor Impacto JCR: 3,475 (2009)
  • CiteScore: 8,6 (2016)
  • SJR: 3,107 (2009)
  • Impacto JCR a 5 años: 3,251
  • Categorías JCR: PHYSICS, CONDENSED MATTER

Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional networks

  • Oliva J.
  • Klein D.
  • Von Ragué Schleyer P.
  • Serrano-Andrés L.

Pure and Applied Chemistry - 1/01/2009

10.1351/pac-con-08-09-18

Número de citas: 28 (Scopus)
  • Factor Impacto JCR: 2,289 (2009)
  • CiteScore: 3,6 (2020)
  • SJR: 1,19 (2009)
  • SNIP: 1,038 (2009)
  • Impacto JCR a 5 años: 2,757
  • Categorías JCR: CHEMISTRY, MULTIDISCIPLINARY

What electronic structures and geometries of carborane mono- and ortho-, meta-, and para-diradicals are preferred?

  • Serrano-Andrés L.
  • Klein D.J.
  • Von Ragué Schleyer P.
  • Oliva J.M.

Journal of Chemical Theory and Computation - 1/8/2008

10.1021/ct800150h

Número de citas: 26 (Scopus)
  • CiteScore: 9,3 (2020)
  • SJR: 2,486 (2008)
  • SNIP: 1,201 (2008)

On the effect of radical character, substitution and atom encapsulation on the volume of icosahedral (Car)boranes

  • José I.
  • Luis Serrano-Andrés
  • Oliva J.
  • Klein D.

Afinidad - 1/1/2008

Número de citas: 1 (Scopus)
  • CiteScore: 0,8 (2020)
  • SJR: 0,155 (2008)
  • SNIP: 0,198 (2008)

What is the limit of atom encapsulation for icosahedral carboranes?

  • Manero V.
  • Oliva J.
  • Serrano-Andrés L.
  • Klein D.

Journal of Chemical Theory and Computation - 1/7/2007

10.1021/ct700042z

Número de citas: 15 (Scopus)
  • CiteScore: 9,3 (2020)
  • SJR: 2,462 (2007)
  • SNIP: 1,448 (2007)

A computational study of the interaction of light with silver nanowires of different eccentricity

  • Oliva J.
  • Gray S.

Chemical Physics Letters - 31/8/2006

10.1016/j.cplett.2006.06.031

Número de citas: 4 (Scopus)
  • CiteScore: 3,7 (2020)
  • SJR: 1,5 (2006)
  • SNIP: 1,102 (2006)

Extended planarity and π delocalization in triazine-based derivatives

  • Fernández M.I.
  • Oliva J.M.
  • Armesto X.L.
  • Canle L. M.
  • Santaballa J.A.

Chemical Physics Letters - 4/8/2006

10.1016/j.cplett.2006.05.130

Número de citas: 17 (Web of Science) 15 (Scopus)
  • CiteScore: 3,7 (2020)
  • SJR: 1,5 (2006)
  • SNIP: 1,102 (2006)

A computational study of the lowest singlet and triplet states of neutral and dianionic 1,2-substituted icosahedral and octahedral o-carboranes

  • Oliva J.
  • Serrano-ANDRÉS L.

Journal of Computational Chemistry - 1/3/2006

10.1002/jcc.20359

Número de citas: 18 (Scopus)
  • CiteScore: 5,4 (2020)
  • SJR: 2,341 (2006)
  • SNIP: 1,646 (2006)

Photochemical window mechanism for controlled atom release in carborane endohedral boxes: Theoretical evidence

  • Serrano-Andrés L.
  • Oliva J.

Chemical Physics Letters - 4/12/2006

10.1016/j.cplett.2006.10.077

Número de citas: 21 (Scopus)
  • CiteScore: 3,7 (2020)
  • SJR: 1,5 (2006)
  • SNIP: 1,102 (2006)

Progress in Electronic-Structure Based Computational Methods: From Small Molecules to Large Molecular Systems of Biological Significance

  • Laimutis Bytautas
  • Douglas J. Klein
  • Demeter Tzeli
  • Maxime Ferrer
  • José Elguero
  • Ibon Alkorta
  • Josep M. Oliva-Enrich
... Ver más Contraer

Frontiers in Computational Chemistry: Volume 6 - 7/09/2022

10.2174/9789815036848122060008

  • ORCID

Quantum Chemistry of Excited States in Polyhedral Boranes

  • Oliva J.
  • Francés-Monerris A.
  • Roca-Sanjuán D.

Challenges and Advances in Computational Chemistry and Physics - 1/1/2015

10.1007/978-3-319-22282-0_4

Número de citas: 6 (Scopus)
  • CiteScore: 1,7 (2020)

Energy Landscapes in Boron Chemistry: Bottom-Top Approach Toward Design of Novel Molecular Architectures

  • Oliva J.

Advances in Quantum Chemistry - 1/1/2012

10.1016/b978-0-12-396498-4.00004-1

Número de citas: 9 (Scopus)
  • Factor Impacto JCR: 2,161 (2012)
  • CiteScore: 2 (2020)
  • SJR: 0,704 (2012)
  • SNIP: 1,7 (2012)
  • Impacto JCR a 5 años: 1,694
  • Categorías JCR: CHEMISTRY, PHYSICAL

Non-relativistic Hartree-Fock energy spectra in icosahedral symmetry molecules with electronic configuration h(2)

  • Josep M. Oliva-Enrich

Proceedings of the 5th Wigner Symposium - 07/1998

10.1142/3785

  • ORCID

Conformational analysis from the viewpoint of molecular similarity

  • Josep M. Oliva-Enrich

Advances in Molecular Similarity - 1996

10.1016/s1873-9776(96)80009-5

  • ORCID

Hartree-fock states energy spectra for icosahedral open-shell structures with electronic configurations h(N) (N=1-9)

  • Josep M. Oliva-Enrich

Universitat de Girona - 1994

  • ORCID

Este autor no tiene conferencias.

Este autor no tiene patentes.

A Quantum-Chemical Study of Boro-Fullerenes B<sub>60</sub>H<sub>60 </sub>, B<sub>60</sub>F<sub>30</sub>H<sub>30</sub> , and B<sub>60</sub>F<sub>60</sub>

10.20944/preprints202204.0115.v1

  • ORCID

Proton affinities of amino group functionalizing 2D and 3D boron compounds

  • Oliva-Enrich, J. M.
  • Humbel, S.
  • Davalos, J. Z.
  • Holub, J.
  • Hnyk, D.

AFINIDAD - 2018

Número de citas: 1 (Web of Science)

Scopus: 20

Web of Science: 17

Scopus: 37

Web of Science: 27

Última actualización de los datos: 27/04/24 5:22
Próxima recolección programada: 4/05/24 3:00